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RDKit · By FreedomIntelligence
6 skills found.
Category:
Skills
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| # | Skill | Repository | Stars | Used in | Tokens | Auto-check | Licence | Updated |
|---|---|---|---|---|---|---|---|---|
| 1 | Predicts ADMET properties using ADMETlab 3.0 API or DeepChem models. | FreedomIntelligence/ | 3.1k | — | ~1.8k | Automated safety check: Pass | No licence | 2 mo ago |
| 2 | Calculates molecular descriptors and fingerprints using RDKit. | FreedomIntelligence/ | 3.1k | — | ~1.6k | Automated safety check: Pass | No licence | 2 mo ago |
| 3 | Reads, writes, and converts molecular file formats (SMILES, SDF, MOL2, PDB) using RDKit and Open Babel. | FreedomIntelligence/ | 3.1k | — | ~1.5k | Automated safety check: Pass | No licence | 2 mo ago |
| 4 | Enumerates chemical libraries through reaction SMARTS transformations using RDKit. | FreedomIntelligence/ | 3.1k | — | ~1.9k | Automated safety check: Pass | No licence | 2 mo ago |
| 5 | Performs molecular similarity searches using Tanimoto coefficient on fingerprints via RDKit. | FreedomIntelligence/ | 3.1k | — | ~1.7k | Automated safety check: Pass | No licence | 2 mo ago |
| 6 | Searches molecular libraries for substructure matches using SMARTS patterns with RDKit. | FreedomIntelligence/ | 3.1k | — | ~1.6k | Automated safety check: Pass | No licence | 2 mo ago |
